2-(3,4-dichlorophenyl)-N-[(1S,2S)-5-hydroxy-2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylacetamide
Basic information
- CAS
153881-56-2- Standard SMILES
CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H]1c2cccc(O)c2CC[C@@H]1N1CCCC1- InChIKey
ZGIVNFOUXRBYGI-REWPJTCUSA-N- Molecular formula
- C23H26Cl2N2O2
- Average molar mass
- 433.4 g/mol
- Monoisotopic mass
- 432.1371335
Names & identifiers
- Preferred name
- 2-(3,4-dichlorophenyl)-N-[(1S,2S)-5-hydroxy-2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylacetamide
- IUPAC
- 2-(3,4-dichlorophenyl)-N-[(1S,2S)-5-hydroxy-2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylacetamide
Names & synonyms
CHEMBL1192671
Database identifiers
- CAS
153881-56-2- PubChem CID
- 14822151
- ChEMBL
CHEMBL1192671
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 43.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 571
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